Geometry & MOs

Info

ID:

428381

PubChem CID:

135167175

Reduced:

N2H44C69 (1)

Stoich.:

A2B44C69 (1)

Weight, g/mol:

1088.41305

ΔHf, kcal/mol:

303.53

Dipole, Da:

0.62

IP(EA), eV:

 -8.09(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3N(C4=CC=CC5=CC=CC=C54)C6=CC=C(C7=CC=CC=C76)C8=CC9=C(C=C8)C1=CC=CC=C1C91C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations